loading...| Preferred Name |
escitalopram |
|
| Synonyms |
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile S(+)-citalopram escitalopram escitalopramum (S)-citalopram (+)-citalopram S-(+)-citalopram Esertia |
|
| Definitions |
A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36791 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:16937393 PMID:24424469 PMID:19710642 PMID:16266205 PMID:15609164 PMID:24289655 PMID:24172161 Wikipedia:Escitalopram LINCS:LSM-3569 PMID:20825390 PMID:18789789 PMID:16953656 KEGG:D07913 PMID:24528284 HMDB:HMDB0005028 DrugBank:DB01175 Beilstein:9001444 PMID:15200745 PMID:24469525 PMID:14501259 PMID:24176515 PMID:14594439 PMID:14708881 Drug_Central:1053 CAS:128196-01-0 PMID:16421462 |
|
| definition |
A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. |
|
| formula |
C20H21FN2O |
|
| has_exact_synonym |
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
S(+)-citalopram escitalopram escitalopramum (S)-citalopram (+)-citalopram S-(+)-citalopram Esertia |
|
| id |
CHEBI:36791 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 |
|
| inchikey |
WSEQXVZVJXJVFP-FQEVSTJZSA-N |
|
| is_conjugate_base_of | ||
| is_enantiomer_of | ||
| label |
escitalopram |
|
| mass |
324.39202 |
|
| monoisotopicmass |
324.16379 |
|
| notation |
CHEBI:36791 |
|
| prefLabel |
escitalopram |
|
| RO_0000087 | ||
| smiles |
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |
|
| subClassOf |